CAS No.5351-51-9,4,5-Dimethyl-thiazole-2-thiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5351-51-9
Name:	4,5-Dimethyl-thiazole-2-thiol
Article Data:	15

Formula:	C₅H₇NS₂
Molecular Weight:	145.249
Synonyms:	2-Mercapto-4,5-dimethylthiazole;4,5-Dimethylthiazole-2-thiol;
EINECS:	226-327-0
Density:	1.28g/cm³
Melting Point:	166 °C
Boiling Point:	214.5 °C at 760 mmHg
Flash Point:	83.5 °C
PSA:	79.93000
LogP:	2.04860

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Specification

The 2(3H)-Thiazolethione,4,5-dimethyl-, with the CAS registry number 5351-51-9, is also known as 2-Mercapto-4,5-dimethylthiazole and 4,5-Dimethylthiazole-2-thiol. Its EINECS registry number is 226-327-0. This chemical's molecular formula is C₅H₇NS₂ and molecular weight is 145.2458. What's more, its IUPAC name is called 4,5-Dimethyl-3H-1,3-thiazole-2-thione.

Physical properties about 2(3H)-Thiazolethione,4,5-dimethyl- are: (1)ACD/LogP: 2.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 22.19; (6)ACD/BCF (pH 7.4): 21.1; (7)ACD/KOC (pH 5.5): 319.95; (8)ACD/KOC (pH 7.4): 304.27; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.63Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 41.37 cm³; (15)Molar Volume: 112.7 cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 83.5 °C; (19)Enthalpy of Vaporization: 45.08 kJ/mol; (20)Boiling Point: 214.5 °C at 760 mmHg; (21)Vapour Pressure: 0.155 mmHg at 25 °C; (22)Melting Point: 166 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1S\C(=C(/N1)C)C
(2) InChI: InChI=1/C5H7NS2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
(3) InChIKey: KKHBRTFQIYIHEI-UHFFFAOYAD